4,4,4-trifluoro-3-heptoxybutan-1-ol

C11H21F3O2 — CID 19905066

IUPAC4,4,4-trifluoro-3-heptoxybutan-1-ol
SMILESCCCCCCCOC(CCO)C(F)(F)F
InChIInChI=1S/C11H21F3O2/c1-2-3-4-5-6-9-16-10(7-8-15)11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyFGNDXNZNWMXEIO-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.29
Rot. Bonds9

About 4,4,4-trifluoro-3-heptoxybutan-1-ol

4,4,4-trifluoro-3-heptoxybutan-1-ol (PubChem CID 19905066) has the molecular formula C11H21F3O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-heptoxybutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-heptoxybutan-1-ol
PubChem CID19905066
Molecular FormulaC11H21F3O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name4,4,4-trifluoro-3-heptoxybutan-1-ol
SMILESCCCCCCCOC(CCO)C(F)(F)F
InChIInChI=1S/C11H21F3O2/c1-2-3-4-5-6-9-16-10(7-8-15)11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyFGNDXNZNWMXEIO-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-nonoxypentan-1-ol
CID 141114457
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
3-decoxy-2,2-dimethyltridecan-1-ol
CID 175424630
2-(hydroxymethyl)-2-(1-pentoxyhexyl)propane-1,3-diol
CID 87525337
(3-hydroxy-1-octadecoxypropyl)-trimethylazanium
CID 87095169
1-icosoxybutane-1,4-diol
CID 175387447
1-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxyheptane
CID 146488162
3,3,3-trifluoro-2-hexoxypropanoic acid
CID 22913377
1-(difluoromethoxy)decane
CID 14400535
5-docosan-5-yloxypentan-1-ol
CID 139884775
titanium;1,1,2-triheptoxyheptan-1-ol
CID 88526182
2-hexadecoxypropane-1,3-diol
CID 12924931

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-heptoxybutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-heptoxybutan-1-ol (CID 19905066) is 4,4,4-trifluoro-3-heptoxybutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-heptoxybutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-heptoxybutan-1-ol is CCCCCCCOC(CCO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-heptoxybutan-1-ol?
The InChIKey is FGNDXNZNWMXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2/c1-2-3-4-5-6-9-16-10(7-8-15)11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-heptoxybutan-1-ol?
4,4,4-trifluoro-3-heptoxybutan-1-ol has a molecular weight of 242.28 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-heptoxybutan-1-ol is sourced from PubChem (CID 19905066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).